BDBM50529712 CHEMBL4451728

SMILES COc1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2NC(=O)c2cc(OC)cc(OC)c2)cc1

InChI Key InChIKey=NXJOAQYKROEWPP-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50529712   

TargetFalcipain 2(malaria parasite P. falciparum)
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50529712(CHEMBL4451728)
Affinity DataIC50: 6.67E+3nMAssay Description:Inhibition of Plasmodium falciparum falcipain-2 preincubated for 30 mins followed by Z-Leu-Arg-AMC substrate addition and measured up to 15 mins by s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCysteine proteinase falcipain 3(Plasmodium falciparum (isolate 3D7))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50529712(CHEMBL4451728)
Affinity DataIC50: 6.67E+3nMAssay Description:Inhibition of Plasmodium falciparum falcipain-3 preincubated for 30 mins followed by Z-Leu-Arg-AMC substrate addition and measured up to 15 mins by s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetFalcipain 2(malaria parasite P. falciparum)
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50529712(CHEMBL4451728)
Affinity DataIC50: 6.67E+3nMAssay Description:Inhibition of Plasmodium falciparum falcipain-2 preincubated for 30 mins followed by Z-Leu-Arg-AMC substrate addition and measured up to 15 mins by s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCysteine proteinase falcipain 3(Plasmodium falciparum (isolate 3D7))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50529712(CHEMBL4451728)
Affinity DataIC50: 6.67E+3nMAssay Description:Inhibition of Plasmodium falciparum falcipain-3 preincubated for 30 mins followed by Z-Leu-Arg-AMC substrate addition and measured up to 15 mins by s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed